MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

glutinol

	Properties	Image
MNX_ID	MNXM5773
reference	chebi:63462
formula	C₃₀H₅₀O
global charge	0
mol weight	426.729
InChIKey	HFSACQSILLSUII-ISSAZSKYSA-N
InChI	InChI=1S/C30H50O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-24,31H,10-19H2,1-8H3/t21-,22+,23-,24+,27-,28+,29-,30+/m1/s1
SMILES	CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1

MNX internals

InChI (mnx)	InChI=1/C30H50O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-24,31H,10-19H2,1-8H3/t21-,22+,23-,24+,27-,28+,29-,30+/m1/s1
SMILES (mnx)	[CH3:1][C:25]1([CH3:2])[CH2:13][CH2:14][C@:27]2([CH3:5])[CH2:15][CH2:17][C@:29]3([CH3:7])[C@H:22]4[CH2:11][CH:9]=[C:20]5[C@@H:21]([CH2:10][CH2:12][C@H:24]([OH:31])[C:26]5([CH3:3])[CH3:4])[C@:28]4([CH3:6])[CH2:16][CH2:18][C@@:30]3([CH3:8])[C@@H:23]2[CH2:19]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63462 chebi:63462 HFSACQSILLSUII-ISSAZSKYSA-N	glutinol (3S,6aS,6bR,8aR,12aR,12bS,14aR,14bS)-4,4,6b,8a,11,11,12b,14a-octamethyl-1,2,3,4,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol 3beta-hydroxy-D:B-friedoolean-5-ene 3beta-hydroxyglutin-5-ene glutin-5-en-3beta-ol
kegg.compound:C20188 keggC:C20188 HFSACQSILLSUII-ISSAZSKYSA-N	Glutinol
seed.compound:cpd21421 seedM:cpd21421 HFSACQSILLSUII-ISSAZSKYSA-N	Glutinol 3beta-hydroxy-5-glutinene glut-5-en-3beta-ol glutinol
metacyc.compound:CPD-13048 metacycM:CPD-13048 HFSACQSILLSUII-ISSAZSKYSA-N	glutinol 3beta-hydroxy-5-glutinene glut-5-en-3beta-ol
keggC:M_C20188 seedM:M_cpd21421	secondary/obsolete/fantasy identifier